Data for ST002586
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 2-hydroxyglutaric (433,245) | 1335.89 | 792.67 | 8146.67 | 5455.74 | 11214.53 | 6549.59 | 9448.44 | 12561.49 | 14979.05 | 9517.70 | |
| 2-hydroxyglutaric M+1 | 579.30 | 444.89 | 3069.15 | 2090.52 | 3902.69 | 2096.25 | 3334.56 | 4636.09 | 5142.55 | 3823.89 | |
| 2-hydroxyglutaric M+2 | 302.95 | 104.24 | 1615.98 | 880.32 | 1916.96 | 1116.01 | 1904.94 | 2339.19 | 2610.64 | 1568.39 | |
| 2-hydroxyglutaric M+3 | 101.64 | 41.72 | 295.61 | 349.88 | 304.51 | 222.75 | 406.20 | 735.77 | 628.86 | 233.77 | |
| 2-Hydroxyglutaric M+4 | - | - | - | 77.20 | - | - | 141.15 | 223.09 | 89.90 | - | |
| 2-hydroxyglutaric M+5 | 292.25 | - | - | 1185.49 | - | - | - | 1416.27 | - | - | |
| 2P-Glycerol M+0 | 23290.08 | 30463.13 | 1292.04 | 5898.53 | 8654.82 | 8851.79 | 3053.92 | 9172.20 | 10274.13 | 10831.70 | |
| 2P-Glycerol M+1 | 11072.71 | 13393.56 | 590.66 | 2732.59 | 4113.34 | 4213.34 | 1532.15 | 4170.53 | 4543.83 | 5304.12 | |
| 2P-Glycerol M+2 | 5884.48 | 7599.65 | 304.43 | 1502.22 | 2433.16 | 2386.74 | 724.54 | 2202.12 | 2627.39 | 2986.58 | |
| 2P-Glycerol M+3 | 1700.36 | 2245.13 | 6086.68 | 403.97 | 607.94 | 449.55 | 3816.10 | 609.49 | 716.84 | 626.01 | |
| 2-phosphoglycerate M+1 | - | - | - | - | - | - | - | - | - | - | |
| 2-phosphoglycerate M+2 | - | - | - | - | - | - | - | - | - | - | |
| 2-phosphoglycerate M+3 | - | - | - | - | - | - | - | - | - | - | |
| 2-phosphoGlycertate (585,383) | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate (275,233) | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+1 | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+2 | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+3 | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+4 | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric (275,260) | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+1 | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+2 | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+3 | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+4 | - | - | - | - | - | - | - | - | - | - | |
| 3P-glycerol M+0 | 30528.96 | 38512.04 | 1446.87 | 7865.41 | 12101.90 | 17809.79 | 4290.28 | 13277.91 | 18087.32 | 14024.50 | |
| 3P-glycerol M+1 | 14160.42 | 17577.70 | 616.58 | 3768.16 | 5086.89 | 8397.18 | 1931.56 | 6079.80 | 8228.58 | 6490.38 | |
| 3P-glycerol M+2 | 7528.52 | 9763.95 | 466.60 | 1821.11 | 2558.71 | 4585.22 | 1112.08 | 3196.91 | 3848.87 | 3504.21 | |
| 3P-glycerol M+3 | 2312.41 | 3080.65 | 7587.25 | 495.96 | 774.24 | 1266.98 | 6377.61 | 940.96 | 1034.13 | 1146.68 | |
| 3-phosphoglycerate (585,383) | 5354.01 | 2723.87 | - | 2152.90 | 1454.81 | 857.98 | 106.76 | 2419.86 | 1268.12 | 3298.98 | |
| 3-phosphoglycerate M+1 | 2501.24 | 1359.09 | 88.93 | 905.20 | 522.17 | 316.91 | - | 1141.04 | 565.72 | 922.37 | |
| 3-phosphoglycerate M+2 | 1314.59 | 660.91 | - | 461.24 | 373.95 | 150.06 | - | 596.92 | 279.41 | 610.81 | |
| 3-phosphoglycerate M+3 | 257.03 | 44.39 | 1625.19 | 50.41 | - | - | 781.23 | 115.28 | - | 113.03 | |
| Adenine 2TBDMS | 3381.93 | 3573.74 | 2471.26 | 2223.69 | 1272.94 | 2495.88 | 4575.12 | 7855.05 | 5077.22 | 4735.57 | |
| Adenine M+1 | 957.63 | 1267.35 | 673.19 | 103712.18 | 544.84 | 847.84 | 1205.49 | 8226.76 | 1156.04 | 951.94 | |
| Adenine M+2 | 243.88 | 267.68 | 228.71 | - | - | 208.37 | 516.27 | 704.82 | 292.46 | 511.28 | |
| Adenine M+3 | 750.68 | - | 255.02 | 1447.46 | - | 536.44 | 149.68 | 242.76 | 248.50 | - | |
| Adenine M+4 | - | - | - | - | - | - | - | - | - | - | |
| Adenine M+5 | 964.75 | - | - | 3245.63 | - | 911.94 | - | 3651.79 | 1028.89 | - | |
| aketoglutarate (346,258) | 6526.06 | 7985.82 | 15231.30 | 8281.26 | 29603.70 | 7449.30 | 33706.72 | 43379.37 | 56735.86 | 26637.22 | |
| aketoglutarate m+1 | 1970.87 | 1901.90 | 4054.00 | 2425.59 | 8040.71 | 1967.17 | 8718.39 | 12027.11 | 14855.05 | 7203.29 | |
| aketoglutarate m+2 | 1021.60 | 789.17 | 3707.29 | 1649.31 | 2980.38 | 687.98 | 7197.92 | 5840.91 | 6358.57 | 3042.13 | |
| aketoglutarate m+3 | 1412.07 | - | 652.59 | 2440.88 | 462.81 | 74.60 | 1656.14 | 4010.34 | 848.33 | 436.42 | |
| aketoglutarate m+4 | 334.35 | - | 432.17 | 1064.76 | 89.92 | 232.54 | 529.01 | 1706.53 | 100.99 | - | |
| aketoglutarate m+5 | 3421.96 | - | 88.27 | 14321.05 | - | - | 80.46 | 18719.71 | - | - | |
| Alanine (260,232) | 19045836.35 | 14758861.39 | 24658.55 | 44220.33 | 24000.47 | 15413.91 | 27526.14 | 51541.89 | 53103.61 | 40595.65 | |
| Alanine m+1 | 4344516.62 | 3434263.00 | 5620.07 | 10319.15 | 5094.58 | 3610.74 | 6530.33 | 11775.51 | 12287.56 | 10218.83 | |
| Alanine m+2 | 1904439.63 | 1428989.20 | 2591.64 | 4475.69 | 2162.59 | 1722.00 | 2879.40 | 4915.47 | 5214.70 | 3982.94 | |
| Alanine m+3 | 270943.83 | 210435.20 | 6842.72 | 1176.73 | 342.61 | 188.89 | 13429.85 | 1255.36 | 736.50 | 619.25 | |
| Aminoadipic 3TBDMS ? | 178.88 | 198.75 | 1963.90 | 1388.32 | 2452.21 | 1585.02 | 1351.80 | 1501.76 | 2203.54 | 1205.57 | |
| aminoadipic M+1 | 112.91 | 39.13 | 733.40 | 549.42 | 1249.64 | 743.22 | 583.13 | 700.39 | 900.34 | 409.45 | |
| aminoadipic M+2 | 71.33 | - | 280.84 | 147.74 | 425.79 | 221.75 | 233.21 | 225.29 | 268.27 | 187.36 | |
| aminoadipic M+3 | - | - | - | 83.00 | - | - | - | - | - | - | |
| aminoadipic M+4 | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+5 | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+6 | - | - | - | - | - | - | - | - | - | - | |
| Asparagine (417,302) | 14417.65 | 771471.69 | 442874.72 | 583770.15 | 406568.46 | 374040.79 | 102010.58 | 155982.77 | 166959.17 | 334700.10 | |
| Asparagine M+1 | 5377.90 | 280407.51 | 158697.96 | 209667.83 | 143168.74 | 136009.28 | 37183.88 | 55673.14 | 58595.27 | 118252.09 | |
| Asparagine M+2 | 2694.28 | 125841.49 | 73823.78 | 98135.94 | 69412.95 | 61217.93 | 17066.38 | 26229.96 | 28220.63 | 53888.96 | |
| Asparagine M+3 | 917.77 | 28757.28 | 17291.05 | 23385.25 | 15729.61 | 14363.66 | 4316.20 | 6072.86 | 6408.19 | 12656.44 | |
| Asparagine M+4 | 130.36 | 6797.87 | 4029.24 | 7243.49 | 3715.12 | 3404.80 | 980.56 | 1425.90 | 1280.51 | 2404.91 | |
| Asparagine M+5 | - | 944.12 | 648.92 | 1438.58 | 467.48 | 633.40 | - | 210.33 | 192.83 | 579.06 | |
| Asparagine M+6 | - | 69.66 | 163.47 | 316.95 | - | 87.98 | - | 101.96 | - | - | |
| Asparagine M+7 | - | - | - | - | - | - | - | - | - | - | |
| Aspartic (418,390) | 46162.50 | 153268.83 | 1687575.54 | 1355299.91 | 1990754.30 | 2313729.52 | 1424416.84 | 1598581.33 | 2189312.62 | 2041605.02 | |
| Aspartic M+1 | 17871.44 | 56405.21 | 608275.99 | 507782.56 | 707514.86 | 832148.37 | 513739.18 | 581786.39 | 784213.29 | 731757.08 | |
| Aspartic M+2 | 11965.78 | 26174.64 | 390992.26 | 405958.86 | 329545.93 | 385605.48 | 311394.66 | 336208.83 | 362412.42 | 339760.23 | |
| Aspartic M+3 | 3712.63 | 5596.21 | 113880.06 | 194290.23 | 76815.09 | 93096.67 | 96538.06 | 120225.21 | 87433.99 | 83541.70 | |
| AsparticM+4 | 12198.72 | 1808.78 | 38010.88 | 1181204.91 | 18747.50 | 23104.04 | 30620.45 | 489183.01 | 20631.32 | 20609.23 | |
| Aspartic M+5 | 4014.55 | 319.22 | 8464.02 | 370310.48 | 3677.57 | 4676.69 | 7343.43 | 151630.78 | 3336.55 | 3380.51 | |
| b-alanine M+0 | 3370.17 | 1549.72 | 17600.60 | 14864.62 | 24833.30 | 16075.68 | 19940.75 | 23412.85 | 28023.59 | 21720.16 | |
| b-alanine M+1 | 879.75 | 476.76 | 4212.90 | 3355.14 | 5097.50 | 3581.22 | 4617.23 | 5588.53 | 6800.92 | 5200.70 | |
| b-alanine M+2 | 315.46 | 203.23 | 1702.88 | 1355.80 | 2290.00 | 1279.20 | 1627.55 | 2384.34 | 3008.61 | 2211.50 | |
| b-alanine M+3 | 46.87 | - | 275.78 | 151.44 | 397.07 | 230.55 | 197.95 | 372.81 | 527.79 | 315.34 | |
| b-alanine M+4 | 783.32 | 785.19 | 714.92 | 949.31 | 636.91 | 2321.75 | 868.84 | 587.10 | 747.72 | 599.15 | |
| Cis-aconitic (459,327) | 837.76 | 1231.23 | 845.89 | 1944.63 | 5326.48 | 5469.12 | 1896.62 | 5314.22 | 7464.60 | 5595.94 | |
| Cis-aconitic M +1 | 428.53 | 452.72 | 373.01 | 803.20 | 2348.85 | 2012.84 | 674.30 | 2147.28 | 2663.58 | 2003.43 | |
| Cis-aconitic M+2 | 201.34 | 305.24 | 2121.62 | 639.06 | 756.95 | 946.16 | 3639.83 | 1373.29 | 1611.90 | 895.53 | |
| Cis-aconitic M+3 | 47.20 | - | 628.23 | 392.20 | 115.66 | 348.78 | 1176.87 | 493.30 | 255.41 | 93.74 | |
| Cis-aconitic M+4 | 224.68 | - | 374.69 | 1472.95 | - | 36.70 | 774.54 | 1341.67 | - | 33.53 | |
| Cis-Aconitic M+5 | 131.11 | - | 168.37 | 747.60 | - | - | 265.92 | 618.39 | - | - | |
| Cis-aconitic M+6 | - | - | - | 350.29 | - | - | 100.68 | 340.20 | - | - | |
| Citric (459,431) | 48359.93 | 69552.91 | 96296.44 | 225394.09 | 719535.93 | 360633.21 | 200048.24 | 911696.59 | 1171467.35 | 863719.23 | |
| Citric m+1 (460,432) | 21360.67 | 27268.70 | 40390.44 | 93852.59 | 270708.97 | 130826.58 | 81597.23 | 355158.94 | 446171.34 | 320671.85 | |
| Citric m+2 (461,433) | 16094.07 | 13137.56 | 243317.11 | 90542.70 | 130740.73 | 61141.58 | 458927.87 | 233712.10 | 210886.03 | 154170.48 | |
| Citric m+3 (462,434) | 6680.10 | 3112.23 | 85857.83 | 51836.57 | 32171.48 | 16447.91 | 160481.05 | 96095.32 | 54881.50 | 40459.11 | |
| Citric m+4 (463,435) | 16337.69 | 978.06 | 60312.63 | 205869.82 | 8859.26 | 4412.69 | 102825.70 | 237045.75 | 14379.21 | 10841.87 | |
| Citric m+5 (464,436) | 7012.59 | 201.03 | 18882.84 | 98332.41 | 1696.66 | 619.97 | 36034.59 | 131600.47 | 2847.51 | 1706.18 | |
| Citric m+6 (465, 437) | 2974.18 | - | 6731.53 | 55518.44 | 542.17 | 260.99 | 12322.81 | 63176.05 | 910.12 | 422.70 | |
| Creatinine (284,341) | - | - | 25191.34 | 12915.36 | 105856.66 | 5511.27 | - | 2001.37 | - | - | |
| Creatinine M+1 | - | - | 8776.00 | 7930.88 | 25779.28 | - | - | - | - | - | |
| Creatinine M+2 | - | - | 5883.27 | 4148.15 | 9884.12 | - | - | - | - | - | |
| Creatinine M+3 | 1332.43 | 1711.42 | 2402.99 | 1427.86 | 3086.36 | 2289.05 | 795.08 | 1070.33 | 1125.65 | 1322.08 | |
| Cysteine (406,378) | 43766.58 | 128652.91 | 121764.51 | 249087.70 | 141078.03 | 65010.71 | 33921.82 | 34560.30 | 52565.22 | 18042.92 | |
| Cysteine M+1 | 15501.04 | 44912.42 | 42391.34 | 84357.58 | 48727.28 | 23572.91 | 12280.64 | 12290.62 | 19019.19 | 6829.97 | |
| Cysteine M+2 | 8651.22 | 26050.54 | 24241.30 | 48720.20 | 26898.43 | 13404.58 | 6943.00 | 7194.24 | 10690.68 | 3685.65 | |
| Cysteine M+3 | 2549.51 | 6719.52 | 6337.27 | 13308.16 | 6738.15 | 3594.05 | 2010.04 | 1871.50 | 2631.44 | 1101.88 | |
| Cysteine M+4 | 695.48 | 1922.53 | 1860.67 | 3785.38 | 1943.12 | 965.67 | 463.44 | 684.48 | 856.45 | 243.99 | |
| Cytosine M+0 1TBDMS | 481.83 | 2493.99 | 2616.93 | 3727.30 | 4574.51 | 7377.20 | 680.80 | 1243.47 | 1181.28 | 748.49 | |
| Cytosine M+0 2TBDMS | 3526.99 | 4520.70 | 2914.18 | 3638.59 | 2913.81 | 3511.83 | 2978.31 | 5474.03 | 3445.55 | 4861.97 | |
| Cytosine M+1 1TBDMS | 281.39 | 1907.83 | 2126.09 | 2990.82 | 3431.34 | 5278.87 | 600.81 | 720.92 | 1121.88 | 510.61 | |
| Cytosine M+1 2TBDMS | 946.17 | 1195.02 | 811.03 | 1022.26 | 1012.80 | 1303.78 | 942.09 | 1679.53 | 1111.37 | 2058.33 | |
| Cytosine M+2 1TBDMS | 13733.27 | 88897.26 | 106671.08 | 144363.42 | 216184.81 | 308027.35 | 24344.68 | 29572.00 | 40583.11 | 32174.94 | |
| Cytosine M+2 2TBDMS | - | - | - | - | - | - | - | - | - | - | |
| Cytosine M+3 1TBDMS | 3917.64 | 24127.66 | 29144.48 | 38275.42 | 56854.26 | 81287.89 | 6555.15 | 7830.40 | 11663.92 | 8411.80 | |
| Cytosine M+3 2TBDMS | - | - | - | - | - | - | - | - | - | - | |
| Cytosine M+4 1TBDMS | 4837.38 | 27748.28 | 31211.84 | 41852.16 | 60233.84 | 83273.64 | 8292.23 | 9785.49 | 13273.84 | 9794.50 | |
| Cytosine M+4 2TBDMS | 1146.85 | 6815.65 | 2984.94 | 5129.71 | 2329.38 | 50892.65 | 5664.30 | 3820.70 | 8211.82 | 3173.76 | |
| DHAP 1/2 (484,452,383) | 117691.97 | 36550.02 | 1274.82 | 30859.56 | 76448.40 | 110345.30 | 2044.85 | 35544.89 | 70379.49 | 17438.40 | |
| DHAP 1/2 M+1 | 41330.90 | 13135.72 | 569.38 | 10602.88 | 26934.72 | 39112.66 | 648.98 | 12539.25 | 26714.27 | 6007.99 | |
| DHAP 1/2 M+2 | 19658.01 | 6276.66 | 771.74 | 5316.09 | 13054.20 | 19688.05 | 716.55 | 6037.16 | 11806.77 | 2960.34 | |
| DHAP 1/2 M+3 | 4822.47 | 1505.72 | 51638.41 | 1300.86 | 2952.63 | 4740.91 | 39668.66 | 1422.02 | 2980.03 | 621.74 | |
| DHAP 2/2 (484,452,383) | 74307.71 | 24783.65 | 783.65 | 20640.50 | 45075.33 | 79900.78 | 1416.48 | 24664.22 | 52985.18 | 11648.66 | |
| DHAP 2/2 M+1 | 26209.18 | 9061.97 | 315.35 | 7549.10 | 15993.58 | 28606.51 | 453.12 | 8620.33 | 18071.05 | 4268.98 | |
| DHAP 2/2 M+2 | 12332.44 | 4356.71 | 363.91 | 3516.91 | 8071.77 | 13914.06 | 416.95 | 4214.85 | 8446.80 | 2239.02 | |
| DHAP 2/2 M+3 | 2993.11 | 1031.06 | 35491.92 | 778.71 | 2007.56 | 3455.03 | 28845.99 | 926.96 | 2295.24 | 513.42 | |
| Ethanolamine (232,144) | 2927.42 | 2026.14 | 1102.24 | 1148.71 | 1104.31 | 2585.60 | 3766.10 | 4681.96 | 5075.42 | 3795.20 | |
| EThanolamine M+1 | 289.44 | 131.18 | 89.23 | 58.10 | - | 87.89 | 329.43 | 342.54 | 372.42 | 252.07 | |
| Ethanolamine M+2 | 649.29 | 402.94 | 205.80 | 264.86 | - | 636.62 | 841.10 | 997.53 | 866.95 | 782.64 | |
| Fumaric (287,329) | 20299.57 | 23932.68 | 110202.29 | 76622.06 | 193042.91 | 146025.25 | 113222.80 | 171345.93 | 183648.78 | 140167.24 | |
| Fumaric M+1 | 5475.59 | 6175.04 | 27694.45 | 20504.10 | 46899.93 | 36574.88 | 28509.17 | 44078.97 | 46311.97 | 33030.47 | |
| Fumaric M+2 | 2955.28 | 2473.14 | 18703.89 | 17214.54 | 20361.87 | 15152.74 | 17881.71 | 25752.75 | 18100.92 | 14416.79 | |
| Fumaric M+3 | 659.29 | 325.57 | 4281.92 | 7805.85 | 3121.30 | 2584.27 | 4709.78 | 8337.52 | 3279.00 | 2037.40 | |
| Fumaric M+4 | 2616.98 | 120.86 | 1074.35 | 56427.49 | 586.09 | 250.84 | 1279.78 | 47552.08 | 614.45 | 477.49 | |
| GABA M+0 | 43269.61 | 21122.34 | 67224.93 | 62548.69 | 107193.31 | 74629.15 | 77853.23 | 87455.61 | 109329.13 | 73270.59 | |
| GABA M+1 | 10547.37 | 5506.61 | 16496.38 | 14751.88 | 26202.00 | 18685.73 | 18222.58 | 21170.55 | 26778.83 | 18535.74 | |
| GABA M+2 | 4118.23 | 1876.21 | 6657.07 | 5985.52 | 11195.41 | 7910.34 | 7643.79 | 8261.07 | 10508.52 | 7010.83 | |
| GABA M+3 | 559.07 | 178.78 | 1024.78 | 990.55 | 1717.44 | 996.38 | 1180.32 | 1307.06 | 1544.33 | 990.97 | |
| GABA M+4 | 129.40 | - | 175.90 | 248.66 | 310.80 | 121.81 | 187.10 | 337.24 | 165.18 | 73.39 | |
| Glucose 2 M | 3088.47 | 3101.97 | 518.08 | 19482.76 | 1503.69 | 162904.70 | 2602.55 | 8344.35 | 13025.64 | 2840.04 | |
| Glucose 2 M+1 | 1633.81 | 1486.58 | 229.72 | 10313.98 | 763.40 | 82740.73 | 1074.28 | 4162.78 | 6350.36 | 1386.71 | |
| Glucose 2 M+2 | 875.33 | 678.10 | 128.76 | 5304.55 | 168.61 | 42730.60 | 562.13 | 2060.97 | 3640.29 | 725.38 | |
| Glucose 2 M+3 | 251.10 | 323.44 | - | 3074.32 | - | 14379.99 | 132.82 | 652.66 | 1302.77 | 148.88 | |
| Glucose 2 M+4 | - | - | - | 864.23 | - | 4486.20 | - | 169.12 | 282.06 | - | |
| Glucose 2 M+5 | - | - | - | 250.04 | - | 1174.08 | - | - | - | - | |
| Glucose 2 M+6 | - | - | 1142.12 | - | - | 201.29 | 4972.03 | - | - | - | |
| Glucose 3 M+0 | 3088.47 | 3101.97 | 518.08 | 19482.76 | 1503.69 | 162816.17 | 2602.55 | 8344.35 | 13025.64 | 2840.04 | |
| Glucose 3 M+1 | 1633.81 | 1486.58 | 210.73 | 10313.98 | 763.40 | 82740.73 | 1074.28 | 4162.78 | 6350.36 | 1386.71 | |
| Glucose 3 M+2 | 875.33 | 678.10 | 111.19 | 5304.55 | 168.61 | 42730.60 | 562.13 | 2060.97 | 3640.29 | 725.38 | |
| Glucose 3 M+3 | 251.10 | 323.44 | - | 2063.87 | - | 14379.99 | 132.82 | 652.66 | 1302.77 | 148.88 | |
| Glucose 3 M+4 | - | - | - | 864.23 | - | 4486.20 | - | 169.12 | 282.06 | - | |
| Glucose 3 M+5 | - | - | - | 250.04 | - | 1174.08 | - | - | - | - | |
| Glucose 3 M+6 | - | - | 1120.29 | - | - | 201.29 | 4972.03 | - | - | - | |
| Glutamic (432,330) | - | - | - | - | - | - | - | - | - | - | |
| Glutamic m+1 | - | - | - | - | - | - | - | - | - | - | |
| Glutamic m+2 | - | - | - | - | - | - | - | - | - | - | |
| Glutamic m+3 | - | - | - | - | - | - | - | - | - | - | |
| Glutamic m+4 | - | - | - | - | - | - | - | - | - | - | |
| Glutamic m+5 | - | - | - | - | - | - | - | - | - | - | |
| Glutamic M+6 | - | - | - | - | - | - | - | - | - | - | |
| Glutamine (431,329) | 18699.85 | - | - | - | - | - | 3175823.30 | - | 4509195.00 | - | |
| Glutamine M+1 | 7208.24 | - | - | - | - | - | 1197052.61 | - | 1705112.72 | - | |
| Glutamine M+2 | 3520.55 | - | - | - | - | - | 545051.35 | - | 772033.08 | - | |
| Glutamine M+3 | 1406.84 | - | - | - | - | - | 130364.50 | - | 189663.48 | - | |
| Glutamine M+4 | 7822.58 | - | - | - | - | - | 31266.60 | - | 43685.70 | - | |
| Glutamine M+5 | 193580.11 | - | - | - | - | - | 16985.58 | - | 7916.05 | - | |
| Glutamine M+6 | 61737.07 | - | - | - | - | - | 4762.59 | - | 1596.43 | - | |
| Glutamine M+7 | - | - | - | - | - | - | - | - | - | - | |
| Glyceraldehyde-3P (484,457,425) | 5303.83 | 1629.08 | - | 13201.86 | 7152.78 | 5774.80 | - | 2666.95 | 5506.95 | 2017.44 | |
| Glyceraldehyde-3P M+1 | 1816.20 | 511.28 | 221.27 | 4595.35 | 2982.51 | 2209.34 | 42.79 | 927.06 | 1411.96 | 702.54 | |
| Glyceraldehyde-3P M+2 | 842.90 | 190.50 | 146.74 | 2079.51 | 1359.91 | 948.03 | - | 348.17 | 725.21 | 258.26 | |
| Glyceraldehyde-3P M+3 | 261.01 | - | 3671.24 | 594.26 | 420.74 | 189.56 | 2465.05 | 99.80 | 185.68 | - | |
| Glycerol M+0 | 1127.43 | 1824.15 | 318.54 | 661.67 | 412.94 | 4063.86 | 448.91 | 468.71 | 852.29 | 191.95 | |
| Glycerol M+1 | - | - | - | - | - | - | - | - | - | - | |
| Glycerol M+2 | - | - | - | - | - | - | - | - | - | - | |
| Glycerol M+3 | - | - | - | - | - | - | - | - | - | - | |
| Glycine (246,218) | 73853.97 | 1621329.47 | 1166709.48 | 990759.30 | 1232192.46 | 869277.76 | 1444489.72 | 1927116.91 | 1974612.20 | 2652771.17 | |
| Glycine m+1 | 16632.95 | 364717.04 | 258573.05 | 219831.23 | 270674.55 | 193333.04 | 320345.42 | 426828.97 | 439468.49 | 588815.39 | |
| Glycine m+2 | 6935.36 | 153516.85 | 109022.63 | 90906.31 | 109517.50 | 81536.43 | 136066.98 | 178580.33 | 181378.14 | 246424.40 | |
| Glycolic Acid (247,189) ? | 2612.72 | 1736.07 | 1345.24 | 2843.51 | 2214.32 | 6861.50 | 1179.18 | 2615.38 | 1672.67 | 1751.68 | |
| Glycolic M+1 | 474.66 | 319.72 | 220.90 | 488.24 | 549.77 | 1568.36 | 183.27 | 482.28 | 207.86 | 288.17 | |
| Glycolic M+2 | 205.24 | 60.22 | 554.74 | 210.64 | 191.78 | 469.15 | 393.63 | 190.70 | 71.61 | 149.83 | |
| Histidine (440,338) | 5747.20 | 20336.18 | 16207.24 | 29956.40 | 18444.84 | 58421.60 | 7921.03 | 12360.73 | 13561.63 | 13357.36 | |
| Histidine M+1 | 2714.88 | 8164.88 | 6181.06 | 11936.30 | 7653.17 | 24731.97 | 3061.40 | 5355.63 | 6225.46 | 5596.48 | |
| Histidine M+2 | 1107.35 | 3773.13 | 2623.96 | 5481.45 | 3257.79 | 10597.02 | 1160.49 | 2321.17 | 2484.19 | 2454.52 | |
| Histidine M+3 | 1011.77 | 1417.26 | 1841.67 | 2727.50 | 2622.68 | 6319.81 | 849.32 | 1620.81 | 2366.27 | 1658.94 | |
| Histidine M+4 | 458.45 | 432.75 | 781.78 | 1251.77 | 957.08 | 2275.44 | 359.52 | 1044.93 | 1033.60 | 619.15 | |
| Histidine M+5 | 2119.74 | 476.44 | 710.52 | 3859.73 | 2899.15 | 7345.45 | 406.20 | 3503.84 | 2817.23 | 1830.80 | |
| Histidine M+6 | 848.81 | 86.58 | 531.33 | 1387.61 | 1080.40 | 2901.47 | 391.69 | 1558.12 | 1364.54 | 636.99 | |
| Histidine M+7 | 228780.30 | 38751.91 | 16187.86 | 360567.42 | 262347.38 | 703714.35 | 8042.13 | 341488.84 | 229219.57 | 140261.05 | |
| Histidine M+8 | 84418.14 | 13156.18 | 6723.84 | 136104.36 | 97064.55 | 267116.25 | 3266.18 | 128688.21 | 84550.37 | 51243.70 | |
| Homocysteine (420,392) | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+1 | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+2 | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+3 | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+4 | - | - | - | - | - | - | - | - | - | - | |
| Hydroxyproline (416,388) | 1838.48 | 25940.78 | 9741.51 | 20844.22 | 8468.85 | 84471.98 | 7749.26 | 8190.94 | 13926.27 | 9932.54 | |
| Hydroxyproline M+1 | 602.28 | 9490.18 | 3468.75 | 7768.21 | 3188.45 | 32791.29 | 2800.72 | 2870.72 | 5358.12 | 3613.11 | |
| Hydroxyproline M+2 | 137.96 | 4288.11 | 1680.95 | 3665.17 | 1263.25 | 13960.61 | 1265.39 | 1264.90 | 2324.06 | 1752.63 | |
| Hydroxyproline M+3 | - | - | - | - | - | - | - | - | - | - | |
| Hydroxyproline M+4 | - | - | - | - | - | - | - | - | - | - | |
| Hydroxyproline M+5 | - | - | - | - | - | - | - | - | - | - | |
| Hydroxyproline M+6 | - | - | - | - | - | - | - | - | - | - | |
| Hypotaruine (280,158) | 13030.01 | 8176.88 | 35230.56 | 44498.54 | 30302.10 | 39049.64 | 68014.07 | 92226.44 | 77305.41 | 118784.05 | |
| Hypotaurine M+1 | 3285.85 | 1734.28 | 8493.38 | 10707.43 | 6879.30 | 10095.37 | 15836.60 | 22293.87 | 17801.54 | 26784.27 | |
| Hypotaurine M+2 | 2676.55 | 1950.11 | 5828.23 | 7512.93 | 4535.81 | 7627.41 | 10650.79 | 13817.62 | 11987.28 | 17763.99 | |
| Hypoxanthine M+0 | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine M+1 | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine M+2 | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine M+3 | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine M+4 | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine M+5 | - | - | - | - | - | - | - | - | - | - | |
| Isocitric (459,431) | - | - | - | - | - | - | - | - | - | - | |
| Isocitric m+1 (460,432) | - | - | - | - | - | - | - | - | - | - | |
| Isocitric m+2 (461,433) | - | - | - | - | - | - | - | - | - | - | |
| Isocitric m+3 (462,434) | - | - | - | - | - | - | - | - | - | - | |
| Isocitric m+4 (463,435) | - | - | - | - | - | - | - | - | - | - | |
| Isocitric m+5 (464,436) | - | - | - | - | - | - | - | - | - | - | |
| Isocitric m+6 (465, 437) | - | - | - | - | - | - | - | - | - | - | |
| Isoleucine (302,274) | 232580.58 | 2154617.25 | 2506072.22 | 3149295.24 | 5355534.27 | 8052400.58 | 499522.56 | 601934.46 | 935005.53 | 620634.64 | |
| Isoleucine M+1 | 60108.74 | 567158.82 | 660720.67 | 830372.49 | 1463229.98 | 2167448.76 | 130313.99 | 157454.24 | 245869.10 | 160507.63 | |
| Isoleucine M+2 | 23662.92 | 222027.69 | 255117.29 | 322097.66 | 561279.91 | 827579.40 | 50659.43 | 60258.17 | 93105.47 | 61617.06 | |
| Isoleucine M+3 | 4067.61 | 38467.27 | 43691.52 | 55932.70 | 98139.45 | 145889.87 | 8984.76 | 10582.22 | 15652.32 | 10477.14 | |
| Isoleucine M+4 | 642.93 | 6635.91 | 7356.53 | 9570.32 | 16718.49 | 25124.05 | 1371.21 | 1734.28 | 2976.86 | 1786.60 | |
| Isoleucine M+5 | 194.80 | 787.62 | 905.15 | 1064.07 | 1615.06 | 2756.87 | 176.65 | 135.25 | 270.29 | 115.88 | |
| Isoleucine M+6 | - | - | - | 185.69 | 192.15 | 233.79 | - | - | - | - | |
| Isoleucine M+7 | - | - | - | - | - | - | - | - | - | - | |
| Lactic (261,233) | 4625621.75 | 1412604.85 | 186371.30 | 2279840.75 | 3681062.00 | 4241864.69 | 182977.64 | 5452561.79 | 5877793.02 | 3247812.41 | |
| Lactic M+1 | 1059156.56 | 320977.27 | 47003.25 | 518851.84 | 839114.06 | 965246.55 | 48284.48 | 1249087.80 | 1342671.76 | 743022.29 | |
| Lactic M+2 | 449960.27 | 134548.29 | 40223.65 | 221801.61 | 352745.58 | 410464.31 | 48350.39 | 527979.11 | 572149.05 | 311285.23 | |
| Lactic M+3 | 67506.38 | 20546.46 | 1519934.16 | 40205.42 | 53349.86 | 62111.89 | 2337228.27 | 90440.36 | 85432.43 | 47316.97 | |
| Leucine (302,274) | 216750.08 | 1804588.70 | 2177670.54 | 3025401.20 | 4610599.70 | 6736722.39 | 401354.89 | 494209.99 | 726577.73 | 543814.42 | |
| Leucine M+1 | 56259.91 | 475876.26 | 581163.32 | 804434.06 | 1236158.26 | 1813179.66 | 104836.13 | 127612.61 | 191489.79 | 141048.03 | |
| Leucine M+2 | 22417.95 | 183295.73 | 223443.95 | 312163.72 | 471695.47 | 694681.61 | 39871.24 | 49622.49 | 72690.48 | 55870.92 | |
| Leucine M+3 | 4155.34 | 33712.92 | 39382.82 | 53951.68 | 84094.51 | 122592.44 | 7138.40 | 8770.05 | 12204.08 | 9540.29 | |
| Leucine M+4 | 755.24 | 5593.60 | 7061.12 | 9374.55 | 14298.02 | 20806.14 | 1415.17 | 1468.50 | 2178.87 | 1573.35 | |
| Leucine M+5 | - | 727.30 | 819.94 | 1210.42 | 1557.92 | 2774.76 | 127.66 | 197.80 | 266.18 | 106.52 | |
| Leucine M+6 | - | - | - | - | - | - | - | - | - | - | |
| Leucine M+7 | - | - | - | - | - | - | - | - | - | - | |
| Linoelaidic M0 337,129,379 | 2852.92 | 2799.64 | 3732.87 | 3273.02 | 3141.46 | 12682.91 | 3902.02 | 3301.83 | 5156.15 | 3104.01 | |
| Linoelaidic M1 | 810.80 | 681.71 | 889.87 | 710.85 | 565.96 | 3252.17 | 1098.02 | 773.58 | 1156.87 | 884.15 | |
| Linoelaidic M2 | - | - | - | - | - | - | - | - | - | - | |
| Linoelaidic M3 | - | - | - | - | - | - | - | - | - | - | |
| Linoelaidic M4 | - | - | - | - | - | - | - | - | - | - | |
| Linoelaidic M5 | - | - | - | - | - | - | - | - | - | - | |
| Linoelaidic M6 | - | - | - | - | - | - | - | - | - | - | |
| Lysine (431,488) | 687.84 | 2505.04 | 1691.92 | 2064.94 | 1161.28 | 3132.16 | 1085.73 | 1198.20 | 1269.11 | 1759.02 | |
| Lysine M+1 | 228.78 | 1076.09 | 622.82 | 777.14 | 516.49 | 1217.39 | 371.12 | 539.84 | 431.32 | 530.35 | |
| Lysine M+2 | 74.92 | 319.53 | 248.02 | 298.29 | - | 515.58 | 146.77 | 125.81 | 206.18 | 193.15 | |
| Lysine M+3 | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+4 | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+5 | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+6 | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+7 | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+8 | - | - | - | - | - | - | - | - | - | - | |
| Malic (419,287) | 8138.79 | 23143.25 | 227906.28 | 154016.12 | 514604.57 | 220609.35 | 265680.95 | 578880.27 | 538127.05 | 327874.25 | |
| Malic M+1 | 3350.04 | 8060.47 | 80584.16 | 58545.37 | 180326.49 | 77332.19 | 95497.69 | 207223.90 | 188110.81 | 115416.72 | |
| Malic m+2 | 2624.84 | 3897.62 | 56868.13 | 52763.30 | 86232.49 | 36402.00 | 62251.87 | 128384.87 | 92465.39 | 54500.42 | |
| Malic m+3 | 841.78 | 885.40 | 16949.35 | 27135.69 | 20088.17 | 8725.81 | 20451.94 | 47631.52 | 20629.10 | 12996.94 | |
| Malic m+4 | 3231.39 | 202.34 | 5879.59 | 163341.54 | 5153.67 | 1809.00 | 6364.15 | 188989.44 | 5387.05 | 2906.33 | |
| Methionine (320,292) | 8805.92 | 137831.63 | 234867.79 | 121000.38 | 436860.68 | 757354.78 | 53078.09 | 34388.16 | 81219.19 | 70255.99 | |
| Methionine M+1 | 2333.89 | 34547.18 | 59329.96 | 31437.98 | 113202.26 | 191833.56 | 13977.45 | 8762.31 | 22102.18 | 18537.35 | |
| Methionine M+2 | 1272.62 | 18851.51 | 33020.37 | 16988.36 | 61102.90 | 107379.31 | 7586.66 | 4851.38 | 11128.88 | 10307.21 | |
| Methionine M+3 | 234.49 | 3810.85 | 6167.19 | 3435.62 | 12852.73 | 20801.49 | 1574.44 | 900.02 | 2342.22 | 1861.88 | |
| Methionine M+4 | 49.50 | 930.07 | 1733.25 | 848.14 | 3510.27 | 6000.47 | 332.91 | 187.77 | 503.46 | 407.63 | |
| Methionine M+5 | - | 80.07 | 229.86 | 142.53 | 707.15 | 994.01 | - | 37.80 | - | 49.67 | |
| Methionine M+6 | - | - | - | - | - | - | - | - | - | - | |
| Myristic-D27 ISTD | 546291.76 | 407886.41 | 406846.61 | 373050.31 | 437921.84 | 626496.41 | 373422.79 | 412042.58 | 470489.43 | 387878.95 | |
| Myristic M+0 (285,129,327) | 7594.12 | 8783.08 | 9319.49 | 8378.49 | 9280.86 | 25201.21 | 14698.29 | 11353.95 | 24999.45 | 13012.13 | |
| Myristic M+1 | 1694.45 | 2336.14 | 2489.36 | 1929.73 | 1866.33 | 6287.11 | 3717.75 | 2625.85 | 6068.75 | 3113.41 | |
| Myristic M+10 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+11 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+12 | 1597.92 | 1030.07 | 3439.99 | 2534.34 | 4391.17 | 764.61 | 3449.72 | 5238.79 | 4742.97 | 2652.52 | |
| Myristic M+13 | 419.59 | 231.06 | 826.53 | 683.59 | 768.68 | 437.15 | 854.04 | 1379.25 | 950.80 | 656.82 | |
| Myristic M+14 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+2 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+3 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+4 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+5 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+6 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+7 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+8 | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+9 | - | - | - | - | - | - | - | - | - | - | |
| N-acetylAspartic (3TBDMS) M+0 | 113129.09 | 54024.40 | 373415.66 | 479912.02 | 372215.39 | 391925.24 | 471928.37 | 658959.91 | 883653.14 | 430679.40 | |
| N-acetylAspartic (3TBDMS) M+1 | 43624.12 | 21239.49 | 141391.09 | 183811.16 | 144445.07 | 147337.60 | 176281.55 | 248960.10 | 337983.29 | 164219.59 | |
| N-acetylAspartic (3TBDMS) M+2 | 21298.15 | 11128.70 | 70596.24 | 85905.05 | 65338.71 | 68483.96 | 87186.14 | 117384.81 | 159854.60 | 75764.26 | |
| N-acetylAspartic (3TBDMS) M+3 | 5545.40 | 2678.21 | 18349.55 | 22411.35 | 16645.49 | 17787.47 | 21710.96 | 29618.40 | 39706.63 | 19919.67 | |
| N-acetylAspartic (3TBDMS) M+4 | 5078.69 | 660.29 | 5215.33 | 14551.22 | 3960.30 | 3927.84 | 5719.17 | 11205.92 | 9438.32 | 5024.07 | |
| N-acetylAspartic (3TBDMS) M+5 | 1424.52 | - | 1459.68 | 3774.71 | 674.73 | 557.52 | 1117.87 | 2542.03 | 1831.46 | 775.01 | |
| N-acetylAspartic (3TBDMS) M+6 | 510.85 | - | 351.75 | 2075.69 | 70.96 | 121.52 | 227.07 | 1007.87 | 288.51 | 468.33 | |
| n-acetyl aspartic acid M+0 | 33375.15 | 22356.46 | 121145.50 | 84630.09 | 322640.39 | 95363.22 | 115919.19 | 177068.57 | 179656.25 | 130281.84 | |
| n-acetyl aspartic acid M+1 | 8792.32 | 5407.52 | 32019.08 | 21756.79 | 84250.85 | 25263.31 | 29994.75 | 45817.38 | 47095.45 | 32758.71 | |
| n-acetyl aspartic acid M+2 | 4218.31 | 2503.69 | 14558.16 | 9450.39 | 33498.75 | 11224.11 | 13068.94 | 19100.49 | 18222.53 | 13586.82 | |
| n-acetyl aspartic acid M+3 | 734.07 | 401.14 | 2674.23 | 1747.39 | 5903.89 | 1681.23 | 2324.51 | 3902.96 | 3163.62 | 2147.15 | |
| n-acetyl aspartic acid M+4 | 1142.09 | 36.78 | 522.49 | 1826.36 | 1090.63 | 273.53 | 467.85 | 1685.84 | 696.91 | 364.34 | |
| n-acetyl aspartic acid M+5 | 213.57 | - | 41.52 | 336.58 | 79.87 | - | - | 315.69 | - | - | |
| n-acetyl aspartic acid M+6 | - | 68.41 | - | 218.48 | - | - | - | 232.18 | - | - | |
| Niacinamide (179, 136, 221) | 11581.33 | 14200.27 | 9827.36 | 14061.59 | 10364.40 | 25089.13 | 8075.98 | 14857.63 | 9879.30 | 11539.90 | |
| Niacinamide M+1 | 1742.11 | 2336.90 | 970.11 | 2253.00 | 819.81 | 3832.43 | 970.89 | 2262.89 | 1484.58 | 1388.21 | |
| Niacinamide M+2 | 258.47 | 663.87 | 424.89 | 797.32 | 212.28 | 2166.48 | 394.83 | 665.62 | 588.15 | 428.83 | |
| Niacinamide M+3 | 195.05 | 1142.13 | 1648.15 | 1699.25 | 3181.61 | 4093.18 | 541.29 | 479.64 | 748.37 | 528.56 | |
| Niacinamide M+4 | 870.84 | 1129.53 | 1311.41 | 1490.70 | 2694.56 | 3252.66 | 315.76 | 1433.63 | 532.13 | 443.35 | |
| Niacinamide M+5 | 7075.61 | 48429.06 | 54684.71 | 66823.46 | 109707.94 | 161825.36 | 13570.09 | 16391.82 | 22805.63 | 16970.93 | |
| Niacinamide M+6 | 2027.73 | 13928.37 | 16069.71 | 19585.72 | 32533.46 | 47462.24 | 4040.38 | 4959.28 | 7163.22 | 5010.39 | |
| Oleic Acid M0 | 28527.01 | 38385.61 | 34176.06 | 37172.28 | 26768.48 | 307994.77 | 59294.44 | 35918.01 | 83964.41 | 41481.89 | |
| Oleic Acid M1 | 8297.04 | 9887.34 | 9856.21 | 10062.29 | 8735.30 | 85007.98 | 16014.63 | 9861.60 | 23595.64 | 12107.70 | |
| Oleic Acid M10 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M11 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M12 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M13 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M14 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M15 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M16 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M17 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M18 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M2 | 1988.24 | 2293.33 | 2964.56 | 2165.07 | 1935.30 | 22062.67 | 3937.04 | 2383.33 | 4704.29 | 2579.83 | |
| Oleic Acid M3 | 486.62 | 500.33 | 524.57 | 669.60 | 682.57 | 2640.73 | 834.21 | 495.09 | 1212.26 | 642.16 | |
| Oleic Acid M4 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M5 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M6 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M7 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M8 | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M9 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+0 2 | 12115.11 | 17689.95 | 15937.36 | 19734.24 | 13075.42 | 135053.70 | 27743.73 | 16047.48 | 39296.16 | 18661.14 | |
| Oleic M+10 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+11 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+1 -2 | 6892.51 | 20881.38 | 15647.26 | 24154.32 | 9957.36 | 59969.06 | 13196.83 | 10660.13 | 14757.59 | 13568.12 | |
| Oleic M+12 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+13 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+14 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+15 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+16 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+17 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+18 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+2 2 | 1756.47 | 6390.88 | 4285.70 | 6592.27 | 2646.54 | 15994.73 | 3510.41 | 2853.79 | 4025.82 | 3680.15 | |
| Oleic M+3 2 | 639.42 | 2130.45 | 1556.56 | 2120.01 | 1001.39 | 4135.45 | 1164.07 | 994.49 | 1118.81 | 1260.42 | |
| Oleic M+4 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+5 2 | 1172.57 | 926.19 | 295.96 | 1846.07 | 1079.85 | 724.87 | 294.34 | 1643.39 | 597.68 | 1474.61 | |
| Oleic M+6 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+7 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+8 2 | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+9 2 | - | - | - | - | - | - | - | - | - | - | |
| Ornithine (474,417) | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+1 | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+2 | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+3 | - | - | 142.44 | 153.39 | 106.18 | 276.78 | - | - | - | - | |
| Ornithine M+4 | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+5 | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+6 | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic (332,374) | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic m+1 | - | - | 100.91 | - | - | - | - | - | - | - | |
| Oxaloacetic m+2 | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic m+3 | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic m+4 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+0 311, 129,353 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+1 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+10 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+11 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+12 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+13 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+14 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+15 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+16 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+2 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+3 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+4 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+5 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+6 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+7 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+8 | - | - | - | - | - | - | - | - | - | - | |
| Palmitelaidic acid M+9 | - | - | - | - | - | - | - | - | - | - | |
| Palmitic M+0 | 61958.55 | 170528.58 | 127654.20 | 203989.20 | 135986.61 | 384762.49 | 100841.35 | 97338.98 | 162575.09 | 166967.95 | |
| Palmitic M+1 | 15488.67 | 53068.94 | 37137.51 | 48956.98 | 39029.87 | 101986.41 | 26718.32 | 24117.45 | 43328.87 | 43932.97 | |
| Palmitic M+10 | - | 195.74 | 220.76 | 483.13 | 291.80 | 107.51 | 143.62 | 198.00 | 194.40 | 267.77 | |
| Palmitic M+11 | - | 147.18 | 183.10 | 277.99 | - | 240.61 | 100.63 | 77.17 | 164.43 | 154.72 | |
| Palmitic M+12 | - | 2540.12 | 1192.21 | 1824.02 | 1358.73 | 1161.98 | 350.26 | 394.27 | 377.40 | 1029.53 | |
| Palmitic M+13 | 333.44 | 19147.42 | 10804.56 | 14918.83 | 9903.21 | 8314.15 | 2324.43 | 3541.95 | 3572.52 | 8139.10 | |
| Palmitic M+14 | 633.97 | 15312.81 | 9693.35 | 12459.39 | 8674.04 | 7839.90 | 2240.72 | 3194.98 | 3388.64 | 6797.88 | |
| Palmitic M+15 | 207.11 | 5205.62 | 3321.90 | 4624.66 | 3067.06 | 2875.07 | 865.59 | 14775.21 | 55438.79 | 2633.13 | |
| Palmitic M+16 | - | - | - | - | - | - | - | - | - | - | |
| Palmitic M+2 | 6675.81 | 133182.65 | 79345.98 | 104563.85 | 72085.08 | 83792.20 | 21175.52 | 28168.38 | 35088.04 | 63197.55 | |
| Palmitic M+3 | 1340.70 | 43192.01 | 23179.64 | 33012.66 | 22739.50 | 22175.75 | 6139.31 | 8792.29 | 9941.24 | 18533.94 | |
| Palmitic M+4 | 385.12 | 18074.20 | 10748.02 | 13899.97 | 9801.89 | 8932.04 | 2425.75 | 3094.84 | 3811.88 | 7700.82 | |
| Palmitic M+5 | 62.53 | 6877.73 | 3754.10 | 5326.79 | 3396.76 | 3259.25 | 862.78 | 1535.73 | 1200.50 | 2968.01 | |
| Palmitic M+6 | 269.31 | 2303.27 | 1463.64 | 16133.88 | 1454.03 | 1067.00 | 435.37 | 3383.02 | 417.72 | 861.13 | |
| Palmitic M+7 | - | 923.00 | 490.06 | 3729.82 | 375.25 | 227.58 | 139.33 | 1058.34 | 195.44 | 356.95 | |
| Palmitic M+8 | - | 213.64 | 556.52 | 1319.79 | 176.25 | - | 182.31 | 247.00 | - | - | |
| Palmitic M+9 | - | - | 221.09 | 626.47 | 132.58 | 187.23 | 162.75 | 137.54 | 159.90 | 82.09 | |
| Phenylalanine (336,308) | 16113.10 | 120268.89 | 132807.94 | 123977.34 | 234352.59 | 428297.62 | 43853.64 | 44784.54 | 64269.33 | 53481.59 | |
| Phenylalanine M+1 | 4816.69 | 36286.39 | 39811.76 | 37215.16 | 67155.81 | 125787.30 | 13397.18 | 13337.75 | 18223.06 | 15051.19 | |
| Phenylalanine M+10 | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+2 | 1850.58 | 13761.69 | 14840.20 | 14187.56 | 27204.99 | 48176.85 | 4865.87 | 4685.14 | 7340.10 | 5730.06 | |
| Phenylalanine M+3 | 286.05 | 2543.11 | 2825.80 | 2753.04 | 5106.05 | 8805.37 | 918.31 | 858.81 | 1137.81 | 1122.23 | |
| Phenylalanine M+4 | 145.76 | 629.44 | 509.37 | 510.40 | 885.74 | 1487.62 | 197.16 | 134.53 | 275.53 | 94.15 | |
| Phenylalanine M+5 | 108.84 | - | 238.77 | 230.67 | 349.88 | 527.58 | 147.38 | 108.80 | 120.82 | 206.84 | |
| Phenylalanine M+6 | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+7 | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+8 | 73.24 | 222.39 | 536.87 | 286.66 | 447.14 | 459.91 | 104.68 | - | 498.67 | - | |
| Phenylalanine M+9 | - | - | - | - | - | - | - | - | - | - | |
| Phosphoenolpyruvic (453,495) | 3922.02 | 1766.04 | - | 3238.13 | 2819.51 | 892.23 | - | 1605.35 | 1137.32 | 1417.27 | |
| Phosphoenolpyruvic m+1 | 1240.54 | 163.58 | - | 1191.60 | 785.47 | 226.28 | - | 541.30 | 276.18 | 412.32 | |
| Phosphoenolpyruvic m+2 | 510.46 | 143.62 | - | 539.91 | 430.49 | 136.15 | - | 297.54 | 81.75 | - | |
| Phosphoenolpyruvic m+3 | 119.68 | - | 1432.26 | 95.76 | - | 80.78 | 535.92 | - | - | - | |
| Phosphoserine (584,482) | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+1 | - | - | - | - | - | 443.32 | - | - | - | - | |
| Phosphoserine M+2 | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+3 | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+4 | - | - | - | - | - | - | - | - | - | - | |
| Proline (286,258) | 22284.58 | 122692.66 | 167029.42 | 174501.44 | 282116.62 | 391910.15 | 96340.45 | 100269.76 | 168696.48 | 180591.65 | |
| Proline M+1 | 6064.58 | 30709.48 | 41768.40 | 42751.59 | 71418.97 | 96283.51 | 23883.27 | 24592.16 | 41866.46 | 44254.02 | |
| Proline M+2 | 2507.18 | 12598.47 | 18135.82 | 18640.83 | 28688.32 | 41313.07 | 10517.60 | 10491.90 | 17327.11 | 19148.76 | |
| Proline M+3 | 1467.81 | 2277.39 | 3032.44 | 5015.19 | 5173.84 | 7207.25 | 1907.17 | 2458.13 | 2289.98 | 3292.77 | |
| Proline M+4 | 329.59 | 283.01 | 759.43 | 1485.81 | 1649.66 | 1540.17 | 487.47 | 639.68 | 393.03 | 662.99 | |
| Proline M+5 | 3284.87 | - | 129.32 | 13298.40 | 36.36 | 136.71 | - | 5416.49 | 1874.92 | 2333.44 | |
| Proline M+6 | 736.77 | - | - | 2632.20 | - | - | - | 922.20 | - | - | |
| Propylene glycol 2TBDMS 247,189 ? | 231284.59 | 553020.43 | 149970.92 | 562877.19 | 18538.78 | 2634938.78 | 455402.72 | 845287.07 | 728893.57 | 300510.96 | |
| Propylene glycol M+1 | 51618.20 | 120348.94 | 33433.76 | 126527.62 | 4391.88 | 586548.60 | 101592.39 | 189412.90 | 159310.66 | 67463.34 | |
| Propylene glycol M+2 | 20760.10 | 50301.08 | 14099.23 | 51087.62 | 1815.14 | 236146.96 | 41671.18 | 77185.83 | 66055.21 | 26455.62 | |
| Propylene glycol M+3 | 3022.71 | 7646.97 | 2700.82 | 7515.01 | 273.01 | 35104.01 | 6166.23 | 11453.11 | 10205.28 | 4165.03 | |
| Pyroglutamic (300,272) | 181134.44 | 1814475.81 | 2935857.36 | 754254.20 | 4467010.61 | 3943306.48 | 2498574.07 | 1616759.54 | 3974454.42 | 3317372.77 | |
| Pyroglutamic M+1 | 49033.42 | 454480.17 | 761138.36 | 202061.43 | 1147718.80 | 1010021.80 | 636909.60 | 419139.02 | 1024326.02 | 855192.94 | |
| Pyroglutamic M+2 | 22964.17 | 190711.61 | 480190.99 | 112144.25 | 478942.22 | 419386.42 | 398542.88 | 195254.60 | 420614.15 | 351882.55 | |
| Pyroglutamic M+3 | 19941.15 | 32439.96 | 94072.29 | 145400.52 | 79671.76 | 68867.68 | 76613.85 | 115932.38 | 68978.12 | 57783.23 | |
| Pyroglutamic M+4 | 600.59 | 2520.19 | 3973.86 | 87112.21 | 7199.55 | 3175.45 | 5922.37 | 18741.04 | 7545.79 | 3441.76 | |
| Pyroglutamic M+5 | 74472.64 | 1824.20 | 6079.06 | 1695216.08 | 3746.04 | 3295.11 | 5492.59 | 955713.00 | 1768.86 | 1445.94 | |
| Pyroglutamic M+6 | 15134.37 | 224.81 | 1426.13 | 343427.70 | 679.68 | 532.51 | 1203.43 | 191287.24 | 147.45 | 172.27 | |
| Pyruvic (174,115) | 47894.67 | 8419.07 | 7159.23 | 56217.66 | 93827.18 | 35874.52 | 7318.71 | 52630.42 | 90099.48 | 19595.92 | |
| Pyruvic M+1 | 5848.87 | 1022.25 | 946.00 | 7166.38 | 11827.89 | 5007.07 | 871.43 | 6740.74 | 11290.14 | 2174.74 | |
| Pyruvic M+2 | 2348.22 | 460.12 | 913.67 | 2547.38 | 4073.83 | 1957.53 | 1058.15 | 2647.36 | 4178.33 | 939.93 | |
| Pyruvic M+3 | 354.91 | - | 42053.87 | 632.60 | 405.70 | 253.78 | 40370.06 | 479.85 | 262.43 | - | |
| Serine (390,362) | 24351.37 | 3427327.42 | 2135669.80 | 1662344.43 | 1777496.08 | 3403958.69 | 720050.48 | 467398.74 | 1030617.27 | 991297.51 | |
| Serine m+1 | 8124.59 | 1203924.99 | 746020.17 | 574768.28 | 615140.86 | 1185218.51 | 251317.68 | 161079.15 | 355492.49 | 345517.18 | |
| Serine m+2 | 3797.46 | 557790.48 | 349659.26 | 269828.86 | 288809.64 | 553257.33 | 117067.56 | 74818.82 | 162812.10 | 158968.06 | |
| Serine m+3 | 906.88 | 123702.55 | 86593.19 | 60372.29 | 65770.05 | 120893.35 | 34005.37 | 16714.16 | 35534.17 | 34726.13 | |
| Serine M+4 | 128.96 | 29087.47 | 20588.96 | 14158.40 | 15309.69 | 27064.58 | 8151.69 | 4427.35 | 9120.04 | 8318.46 | |
| Stearic M+0 341,129,383 | 62782.63 | 58225.54 | 48215.45 | 80424.30 | 55001.81 | 200463.53 | 68638.08 | 66056.69 | 76578.83 | 61243.01 | |
| Stearic M+1 | 18493.76 | 16311.92 | 14150.15 | 23190.72 | 15857.66 | 57442.58 | 19151.01 | 18351.18 | 21743.06 | 17554.17 | |
| Stearic M+10 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+11 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+12 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+13 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+14 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+15 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+16 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+17 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+18 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+2 | 5121.80 | 4532.41 | 3821.69 | 6629.89 | 4434.98 | 15871.80 | 5507.12 | 5015.32 | 5993.15 | 4503.34 | |
| Stearic M+3 | 2595.38 | 1673.78 | - | 3328.73 | - | 3288.93 | - | - | - | - | |
| Stearic M+4 | 628.07 | 502.31 | - | 1291.43 | - | - | - | - | - | - | |
| Stearic M+5 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+6 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+7 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+8 | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+9 | - | - | - | - | - | - | - | - | - | - | |
| Succinic +1 | 949.30 | 1181.68 | 2861.80 | 1686.82 | 3847.09 | 5430.37 | 2973.59 | 6250.57 | 5168.47 | 4955.40 | |
| Succinic +2 | 624.58 | 439.59 | 2503.88 | 7946.95 | 1789.47 | 2719.81 | 2567.18 | 4734.72 | 1808.85 | 2333.44 | |
| Succinic (289,331) | 2980.50 | 5743.59 | 10802.31 | 5999.67 | 17666.24 | 22383.69 | 12147.88 | 24521.24 | 18476.21 | 19189.58 | |
| Succinic +3 | 528.69 | - | 536.03 | 1314.39 | 402.90 | 257.60 | 493.15 | 1151.88 | 283.89 | 324.93 | |
| Succinic +4 | 975.40 | - | - | 8812.23 | - | - | 244.77 | 12558.38 | - | - | |
| Taurine | 37243.04 | 21793.16 | 102094.87 | 234976.97 | 154720.60 | 467865.51 | 123934.83 | 167270.50 | 239981.81 | 215530.70 | |
| Taurine M+1 | 77026.51 | 58052.91 | 69506.67 | 142750.95 | 116902.48 | 243130.07 | 81619.51 | 104113.31 | 133233.89 | 105861.73 | |
| Taurine M+2 | 22234.77 | 16364.62 | 25109.48 | 54010.08 | 43339.61 | 101372.92 | 30796.02 | 39620.14 | 52645.00 | 43818.64 | |
| Threonine (404,376) | 3093.87 | 138537.03 | 47604.63 | 110768.04 | 42108.91 | 980224.11 | 55132.35 | 33200.95 | 101235.61 | 39969.59 | |
| Threonine M+1 | 1030.33 | 48920.17 | 16299.77 | 38160.90 | 15760.30 | 346607.77 | 19329.91 | 11902.37 | 35520.29 | 13918.16 | |
| Threonine M+2 | 379.73 | 22075.33 | 7746.66 | 17645.71 | 6560.01 | 162567.62 | 8994.66 | 5500.15 | 15899.34 | 5780.74 | |
| Threonine M+3 | 95.00 | 5052.32 | 1763.47 | 4202.09 | 1653.50 | 35382.69 | 2101.57 | 1264.89 | 3598.71 | 1312.15 | |
| Threonine M+4 | - | 1276.38 | 361.19 | 851.23 | 469.44 | 9105.59 | 391.25 | 212.11 | 595.97 | 223.49 | |
| Threonine M+5 | - | - | 35.75 | 219.38 | - | 1360.31 | 70.04 | - | - | - | |
| Thymine M+0 2 TBDMS | 17827.00 | 10328.96 | 25418.11 | 23068.61 | 49179.97 | 6576.15 | 28889.94 | 37091.43 | 43645.87 | 35162.51 | |
| Thymine M+1 2 TBDMS | 4401.56 | 2207.07 | 6463.94 | 6049.35 | 12213.73 | 1877.38 | 7300.41 | 9259.21 | 11353.07 | 9250.80 | |
| Thymine M+2 2 TBDMS | 1852.57 | 1301.26 | 2886.25 | 2360.49 | 4878.80 | 835.51 | 3028.59 | 3758.45 | 5023.87 | 3445.40 | |
| Thymine M+3 2 TBDMS | - | - | - | - | - | - | - | - | - | - | |
| Thymine M+4 2 TBDMS | - | - | - | - | - | - | - | - | - | - | |
| Thymine M+5 2 TBDMS | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+1 | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+2 | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+3 | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+4 | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+5 | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+6 | - | - | - | - | - | - | - | - | - | - | |
| Typtophan 3TBDMS 489 531 244 | 116.44 | 1007.92 | 361.00 | 801.74 | 472.02 | 15910.60 | 973.47 | 483.29 | 1345.85 | 523.37 | |
| Tyrosine (466,302) | 10882.44 | 156518.16 | 184786.88 | 188003.39 | 349987.16 | 635829.75 | 51786.39 | 55734.62 | 81155.27 | 61688.31 | |
| Tyrosine M+1 | 4266.09 | 66059.36 | 75309.86 | 77135.27 | 142695.25 | 268789.90 | 21140.48 | 23248.50 | 33420.36 | 25176.24 | |
| Tyrosine M+2 | 1917.27 | 28867.75 | 33814.35 | 34481.21 | 64048.88 | 117120.48 | 9732.70 | 10104.37 | 14576.93 | 11523.40 | |
| Tyrosine M+3 | 511.08 | 8021.67 | 9138.71 | 9588.63 | 16846.49 | 30844.17 | 2618.50 | 2909.29 | 4499.35 | 3097.27 | |
| Tyrosine M+4 | 80.72 | 1711.04 | 2271.83 | 2214.74 | 4254.16 | 7952.82 | 602.44 | 753.36 | 896.33 | 767.07 | |
| Tyrosine M+5 | 143.30 | 643.52 | 690.13 | 989.18 | 1144.96 | 3342.92 | 439.06 | 611.11 | 617.47 | 494.26 | |
| Uracil M+0 | 78792.79 | 84570.59 | 47059.00 | 61174.44 | 37539.79 | 56316.46 | 49126.22 | 65144.09 | 55069.76 | 72531.71 | |
| Uracil M+1 | 19003.11 | 19009.79 | 11612.01 | 15418.70 | 9375.93 | 14058.17 | 12445.53 | 16277.32 | 13741.87 | 18127.74 | |
| Uracil M+2 | 7872.82 | 8092.15 | 4723.33 | 6216.96 | 3682.03 | 5858.99 | 5009.14 | 6390.42 | 5355.72 | 7389.15 | |
| Uracil M+3 | 1398.08 | 1237.76 | 674.05 | 893.67 | 594.04 | 857.32 | 682.98 | 1180.71 | 687.77 | 879.24 | |
| Uracil M+4 | 250.89 | 133.27 | 103.99 | 185.01 | 123.36 | - | 125.95 | 146.64 | 175.73 | 168.08 | |
| Urea (231, 273) | 12127.90 | 13720.13 | 20367.98 | 13323.23 | 18453.12 | 20847.71 | 14382.24 | 13268.10 | 19648.26 | 12809.76 | |
| Urea 3 M+1 | - | - | - | - | - | - | - | - | - | - | |
| Urea 3 M+2 | - | - | - | - | - | - | - | - | - | - | |
| Urea 3 M+3 | - | - | - | - | - | - | - | - | - | - | |
| Urea 3-TBDMS (?) | - | - | - | - | - | - | - | - | - | - | |
| Urea (M+1) | 2760.12 | 2939.23 | 4669.51 | 3094.27 | 4815.73 | 6255.35 | 2798.56 | 3044.05 | 4591.96 | 3136.51 | |
| Urea (M+2) | 983.95 | 1167.51 | 1899.91 | 1068.89 | 1995.88 | 1876.20 | 1302.93 | 1206.54 | 1805.81 | 1221.47 | |
| Urea (M+3) | 174.43 | 203.17 | 396.96 | 107.60 | 164.05 | 467.26 | 116.71 | 93.09 | 128.77 | 72.64 | |
| Uric acid (576,395,511) | 513.66 | - | 1087.65 | 555.17 | 1620.46 | 611.31 | 493.98 | 598.18 | 991.43 | 574.04 | |
| Uric acid M+1 | 337.43 | - | 688.33 | 325.62 | 648.41 | 130.39 | 248.98 | 331.60 | 430.50 | 297.75 | |
| Uric Acid M+2 | 96.42 | - | 493.36 | 74.86 | 340.12 | - | - | 163.46 | 155.01 | - | |
| Uric Acid M+3 | - | - | - | - | - | - | - | - | - | - | |
| Uric Acid M+4 | - | - | - | - | - | - | - | - | - | - | |
| Valine (288) | 39710.08 | 175386.21 | 236437.44 | 239492.48 | 398408.57 | 703523.19 | 81273.94 | 85435.48 | 114185.45 | 90665.98 | |
| Valine M+1 | 10016.23 | 43537.21 | 58909.44 | 58768.63 | 100239.50 | 175786.81 | 20480.67 | 22168.54 | 28582.91 | 21380.24 | |
| Valine M+2 | 9403.04 | 25732.35 | 29226.62 | 32517.73 | 58194.30 | 116754.31 | 10377.97 | 13198.93 | 30064.33 | 11547.09 | |
| Valine M+3 | 2028.15 | 4728.16 | 5328.72 | 5856.43 | 11122.19 | 22061.65 | 1761.61 | 2490.56 | 6196.42 | 2079.76 | |
| Valine M+4 | 555.15 | 1014.75 | 1362.51 | 1598.01 | 3085.78 | 6480.02 | 488.74 | 597.16 | 1976.72 | 648.74 | |
| Valine M+5 | 90.16 | 89.98 | 8012.47 | 302.33 | 272.60 | 1075.60 | 8797.12 | 89.72 | 157.27 | - | |
| Valine M+6 | - | - | 1485.56 | - | - | 134.16 | 1892.67 | - | - | - | |
| Xanthine 3TBDMS M+0 | - | - | - | - | - | - | - | - | - | - | |
| Xanthine 3TBDMS M+1 | - | - | - | - | - | - | - | - | - | - | |
| Xanthine 3TBDMS M+2 | - | - | - | - | - | - | - | - | - | - | |
| Xanthine 3TBDMS M+3 | - | - | - | - | - | - | - | - | - | - | |
| Xanthine 3TBDMS M+4 | - | - | - | - | - | - | - | - | - | - | |
| Xanthine 3TBDMS M+5 | - | - | - | - | - | - | - | - | - | - |
Factors:
| F1 | Treatment:Alanine 18h and C13 Glutamine 60min |
| F2 | Treatment:Alanine 18h and Glutamine 60min |
| F3 | Treatment:C13 Glucose 30min |
| F4 | Treatment:C13 Glutamine 60min |
| F5 | Treatment:Glucose 30min |
| F6 | Treatment:Glutamine 60min |
| F7 | Treatment:SMACA4 repstration + C13 Glucose 30min |
| F8 | Treatment:SMACA4 repstration + C13 Glutamine 60min |
| F9 | Treatment:SMACA4 repstration + Glucose 30min |
| F10 | Treatment:SMACA4 repstration + Glutamine 60min |
